| 2007 |
|---|
| 4 | EE | Marek Freindorf,
Matthew D. Jones,
Yihan Shao,
Jing Kong,
Thomas R. Furlani:
Large-Scale QM/MM Calculations of Electronic Excitations in Yellow Protein: Toward Petascale Level of Protein Calculations.
BIBE 2007: 614-619 |
| 2006 |
|---|
| 3 | | Marek Freindorf,
Yihan Shao,
Jing Kong,
Thomas R. Furlani:
Combined QM/MM Studies of Binding Effect of Cytochrome P450cam to Putidaredoxin.
BIOCOMP 2006: 391-398 |
| 2005 |
|---|
| 2 | EE | Marek Freindorf,
Yihan Shao,
Thomas R. Furlani,
Jing Kong:
Lennard-Jones parameters for the combined QM/MM method using the B3LYP/6-31G*/AMBER potential.
Journal of Computational Chemistry 26(12): 1270-1278 (2005) |
| 1996 |
|---|
| 1 | EE | Marek Freindorf,
Jiali Gao:
Optimization of the Lennard-Jones parameters for a combined ab initio quantum mechanical and molecular mechanical potential using the 3-21G basis set.
Journal of Computational Chemistry 17(4): 386-395 (1996) |
